SCHEMBL16631637

SCHEMBL16631637

O=c1c(F)c(C(F)(F)F)[nH]c2nc(=S)n([C@@H]3O[C@H](CO)C(O)[C@@H]3O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.41
SLC28A1 O00337 1/20 0.40
SLC28A2 O43868 1/20 0.40
SLC29A1 Q99808 1/20 0.40
SLC28A3 Q9HAS3 1/20 0.40
LMNA P02545 3/20 0.39
MTOR P42345 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
THRB P10828 1/20 0.39
MDM2 Q00987 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
DNMT1 P26358 1/20 0.39
THPO P40225 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16631658 0.90 LMNA (0.45) PYGMSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL16631659 0.90 PYGM (0.40) PYGMSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL16631302 0.88 PYGM (0.43) PYGMSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL16631360 0.86 PYGM (0.42) PYGMSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL16631323 0.83 PYGM (0.49) PYGMSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL18080298 0.83 P2RY2 (0.53) P2RY2
SCHEMBL16631281 0.82 PYGM (0.42) PYGMSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL16631636 0.82 PYGM (0.41) PYGMSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL16631288 0.81 PYGM (0.41) PYGMSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL16631351 0.80 PYGM (0.44) PYGMSLC28A1SLC28A2SLC29A1SLC28A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 PYGM 303/4885SLC28A1 302/4885SLC28A2 214/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.